Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

被引：73

作者：

Dien Ngo ^{[1
,2
]}

Liu, Hongshen ^{[1
,2
]}

Chen, Zhe ^{[1
,2
]}

Kaya, Huseyin ^{[3
]}

Zimudzi, Tawanda J. ^{[2
]}

Gin, Stephane ^{[4
]}

Mahadevan, Thiruvillamalai ^{[5
]}

Du, Jincheng ^{[5
]}

Kim, Seong H. ^{[1
,2
,3
]}

机构：

[1] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA

[2] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA

[3] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[4] Univ Montpellier, CEA, DEN, DE2D, Marcoule, France

[5] Univ North Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA

来源：

NPJ MATERIALS DEGRADATION | 2020年 / 4卷 / 01期

关键词：

Gels - Glass - Molecular dynamics - Silicon compounds - Leaching - Corrosion - Pore size - Infrared spectroscopy;

D O I：

10.1038/s41529-019-0105-2

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Hydrogen bonding interactions play an important role in many chemical and physical processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H2O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble silicon-containing species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation results revealed various possible types of hydrogen bonds among these hydrous species in nanoconfinement environments with their populations depending on pore-size distribution. The nano-porous gels formed on corroded glass surfaces enhance hydrogen bond strength between hydrous species as revealed by attenuated total reflectance infrared spectroscopy. Sum frequency generation spectroscopy showed some significant differences in hydrogen bonding interactions on alteration layers formed at pH 7 and pH 9. The glass dissolution under the leaching conditions used in this study has been known to be ten times faster at pH 7 in comparison to that at pH 9 due to unknown reasons. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slower than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.

引用

页数：14

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